tert-butyl N-[N'-[(4-chlorophenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-N-(4-pyrrolidin-1-ylbutyl)carbamate

Systemtic Name: tert-butyl N-[N'-[(4-chlorophenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-N-(4-pyrrolidin-1-ylbutyl)carbamate Openeye Name: tert-butyl N-[N-tert-butoxycarbonyl-N'-[(4-chlorophenyl)methyl]carbamimidoyl]-N-(4-pyrrolidin-1-ylbutyl)carbamate CAS Name: N-[(4-chlorophenyl)methylimino-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-N-[4-(1-pyrrolidinyl)butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[N'-[(4-chlorophenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-N-(4-pyrrolidin-1-ylbutyl)carbamate Traditional Name: N-[N-tert-butoxycarbonyl-N'-(4-chlorobenzyl)amidino]-N-(4-pyrrolidinobutyl)carbamic acid tert-butyl ester Formula: C26H41ClN4O4 MolecularWeight: 509.08114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=NCC1=CC=C(C=C1)Cl)N(CCCCN2CCCC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC(=NCC1=CC=C(C=C1)Cl)N(CCCCN2CCCC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H41ClN4O4/c1-25(2,3)34-23(32)29-22(28-19-20-11-13-21(27)14-12-20)31(24(33)35-26(4,5)6)18-10-9-17-30-15-7-8-16-30/h11-14H,7-10,15-19H2,1-6H3,(H,28,29,32)